N-[4-(4,5,6,7-tetrafluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide

C28H15F4N5O — CID 15940764

IUPACN-[4-(4,5,6,7-tetrafluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESO=C(NC1c2ccccc2-c2c(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)cccc21)c1ccnc2[nH]ccc12
InChIInChI=1S/C28H15F4N5O/c29-19-20(30)22(32)25-24(21(19)31)35-27(36-25)17-7-3-6-16-18(17)12-4-1-2-5-13(12)23(16)37-28(38)15-9-11-34-26-14(15)8-10-33-26/h1-11,23H,(H,33,34)(H,35,36)(H,37,38)
InChIKeyWBXLQAOZLIGHHF-UHFFFAOYSA-N
MW513.45 g/mol
LogP6.16
Rot. Bonds3

About N-[4-(4,5,6,7-tetrafluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide

N-[4-(4,5,6,7-tetrafluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (PubChem CID 15940764) has the molecular formula C28H15F4N5O and a molecular weight of 513.45 g/mol. Its IUPAC name is N-[4-(4,5,6,7-tetrafluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4,5,6,7-tetrafluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
PubChem CID15940764
Molecular FormulaC28H15F4N5O
Molecular Weight513.45 g/mol
Exact Mass513.12
IUPAC NameN-[4-(4,5,6,7-tetrafluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESO=C(NC1c2ccccc2-c2c(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)cccc21)c1ccnc2[nH]ccc12
InChIInChI=1S/C28H15F4N5O/c29-19-20(30)22(32)25-24(21(19)31)35-27(36-25)17-7-3-6-16-18(17)12-4-1-2-5-13(12)23(16)37-28(38)15-9-11-34-26-14(15)8-10-33-26/h1-11,23H,(H,33,34)(H,35,36)(H,37,38)
InChIKeyWBXLQAOZLIGHHF-UHFFFAOYSA-N
XLogP6.16
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.45
LogP ≤ 56.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5,6,7-tetrafluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The IUPAC name of N-[4-(4,5,6,7-tetrafluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (CID 15940764) is N-[4-(4,5,6,7-tetrafluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(4,5,6,7-tetrafluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(4,5,6,7-tetrafluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is O=C(NC1c2ccccc2-c2c(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)cccc21)c1ccnc2[nH]ccc12.
What is the InChIKey of N-[4-(4,5,6,7-tetrafluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The InChIKey is WBXLQAOZLIGHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H15F4N5O/c29-19-20(30)22(32)25-24(21(19)31)35-27(36-25)17-7-3-6-16-18(17)12-4-1-2-5-13(12)23(16)37-28(38)15-9-11-34-26-14(15)8-10-33-26/h1-11,23H,(H,33,34)(H,35,36)(H,37,38).
What are the key properties of N-[4-(4,5,6,7-tetrafluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
N-[4-(4,5,6,7-tetrafluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide has a molecular weight of 513.45 g/mol, XLogP of 6.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5,6,7-tetrafluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 15940764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).